Geometry & MOs

Info

ID:	393884
PubChem CID:	135021905
Reduced:	ClOC25H25 (1)
Stoich.:	ABC25D25 (1)
Weight, g/mol:	182.129337
ΔH_f, kcal/mol:	2.36
Dipole, Da:	3.04
IP(EA), eV:	-9.21(0.03)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[[(1S,2S,3aS,7aS)-1-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]hydrazinylidene]azanide

Drug info:

PubChemData

Smile

CC([C@H]1C[C@H](C[C@H](O1)C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations